ethyl (6E)-2-(2-hydroxyethyl)-6-(phenylmethylidene)-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylate

Systemtic Name: ethyl (6E)-2-(2-hydroxyethyl)-6-(phenylmethylidene)-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylate Openeye Name: ethyl (6E)-6-benzylidene-2-(2-hydroxyethyl)-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylate CAS Name: (6E)-2-(2-hydroxyethyl)-6-(phenylmethylene)-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6E)-6-benzylidene-2-(2-hydroxyethyl)-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylate Traditional Name: (6E)-6-benzal-2-(2-hydroxyethyl)-4,5-dihydrocyclopenta[c]pyrazole-3-carboxylic acid ethyl ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCC(=CC3=CC=CC=C3)C2=NN1CCO

Isomeric SMILES

CCOC(=O)C1=C2CC/C(=C\C3=CC=CC=C3)/C2=NN1CCO

InChI

InChI=1S/C18H20N2O3/c1-2-23-18(22)17-15-9-8-14(12-13-6-4-3-5-7-13)16(15)19-20(17)10-11-21/h3-7,12,21H,2,8-11H2,1H3/b14-12+